News

Zhongyue's Chemistry Methods paper published

Zhongyue (PD ‘20 now TT AP Vanderbilt) and Natalia (UROP ‘18-20)’s paper on long range electronic coupling in AIMD has been published in Chemistry - Methods! Check it out here!

Jul 19, 2021
Vyshnavi's Topics in Catalysis paper published

Vyshnavi (and Aditya)’s paper on DFT functional sensitivity in catalysis has been published in Topics in Catalysis! Check it out here!

Jul 16, 2021
Invited Chemical Reviews paper published

Our Chemical Reviews on high-throughput screening and ML for transition metal chemistry was published online! Check it out here!

Jul 14, 2021
Zhongyue's paper on HypD published

Zhongyue’s (PD ‘20 now TT AP Vanderbilt) paper on substrate dynamics in HypD has been published in J. Phys. Chem. B! Check it out here!

Jun 25, 2021
Akash wins MSDE poster award

Congratulations to Akash for winning a poster award at the MSDE Frontiers of Molecular Engineering Workshop!
Jun 18, 2021
Alli Keys and Dr. Isuru Ariyarathna join the group

Welcome to new CSBi graduate student Alli Keys (co-advised Kiessling lab) and postdoc Isuru Ariyarathna!
Jun 1, 2021
Daniel Harper receives his S.M.

Congrats to Daniel Harper on completing his S.M.!
May 31, 2021
HJK wins MSDE paper award

HJK wins the 2020 Outstanding Early Career Paper Award from MSDE!
May 21, 2021
New Perspective on ML for computational chemistry published

Chenru, Fang, and Aditya’s Invited Perspective on ML for computational chemistry has been accepted in J. Phys. Chem. Lett.!
May 5, 2021
HJK receives tenure!

HJK officially receives tenure in the Department of Chemical Engineering at MIT! Many thanks to all the group members and mentors over the years!
May 3, 2021